Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-8.5469 -2.1949 2.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2719 -1.7082 0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2379 -0.6157 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9234 -1.1034 1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8480 -0.0635 1.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6076 0.3604 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5086 1.4313 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3461 1.7823 -1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3289 2.8100 -1.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9203 2.4695 -1.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4334 1.2066 -2.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9782 0.8450 -1.7489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1452 0.6036 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5747 0.2440 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0483 -0.9979 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4752 -1.3298 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4480 -0.2361 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8042 -0.6867 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0026 -1.8008 0.3042 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9619 0.1353 -0.4569 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2841 -0.2834 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4016 -0.5427 1.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7465 -1.7396 1.8025 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9588 -3.1060 2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3952 -1.3946 3.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6112 -2.4907 2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0053 -2.5375 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2187 -1.2660 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6226 0.2641 1.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1639 -0.3116 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6464 -2.0456 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1145 -1.3465 2.4876 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9091 -0.5644 1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0533 0.7872 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5335 0.8976 -0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3111 -0.4537 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8458 2.2379 0.5431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5752 0.9446 0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3216 2.1091 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0955 0.8378 -2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3154 2.9794 -2.9606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5848 3.7879 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2769 3.2975 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7522 2.5113 -0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0956 0.3413 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4030 1.4446 -3.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3121 0.0113 -2.3862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6020 1.7459 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5250 -0.3002 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7743 1.4269 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6544 0.1540 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2620 1.0895 -0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9435 -0.9759 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4287 -1.8477 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7590 -2.2211 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5789 -1.5560 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2539 0.7127 -0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4376 -0.0277 -1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7818 1.0555 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6452 -1.1592 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9862 0.5503 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1917 0.2905 2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9441 -2.5311 1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8315 -1.9270 2.8586 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers